Molecule FYI-1000300

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A

Molecule Summary:

ID: FYI-1000300
SMILES: O=Cc1ccc(CO)oc1

Received at FYIcenter.com on: 2021-03-21

Molecule ID: FYI-1000300 Edit

Molecule Structure SMILES String: O=Cc1ccc(CO)oc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000300
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.6175    1.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    2.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478    1.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487    3.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8629    4.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859    3.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1061    2.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492    1.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641    2.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000300-3D
FYIcenter.com

 17 17  0  0  1  0  0  0  0  0999 V2000
    2.3576    0.4536    1.2881 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870   -0.0277    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9128   -1.0730   -0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007   -1.6084    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8886   -2.4434   -0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5593   -2.7999   -1.8870 C   0  0  3  0  0  3  0  0  0  0  0  0
    5.6301   -3.0948   -2.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3559   -1.9005   -3.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3307   -2.4002   -2.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5698   -1.5119   -1.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    0.3205   -0.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3419   -1.3099    1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8013   -2.8445   -0.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2011   -3.4581   -3.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3319   -3.8469   -2.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154   -1.1677   -3.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6999   -1.2001   -2.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$

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2022-05-31, 2570👍, 0💬